4-(azepan-1-ylcarbonyl)-N-(2-methoxyphenyl)-1,2,5-trimethyl-pyrrole-3-sulfonamide

Systemtic Name: 4-(azepan-1-ylcarbonyl)-N-(2-methoxyphenyl)-1,2,5-trimethyl-pyrrole-3-sulfonamide Openeye Name: 4-(azepane-1-carbonyl)-N-(2-methoxyphenyl)-1,2,5-trimethyl-pyrrole-3-sulfonamide CAS Name: 4-[1-azepanyl(oxo)methyl]-N-(2-methoxyphenyl)-1,2,5-trimethyl-3-pyrrolesulfonamide IUPAC Name: 4-(azepane-1-carbonyl)-N-(2-methoxyphenyl)-1,2,5-trimethylpyrrole-3-sulfonamide Traditional Name: 4-(azepane-1-carbonyl)-N-(2-methoxyphenyl)-1,2,5-trimethyl-pyrrole-3-sulfonamide Formula: C21H29N3O4S MolecularWeight: 419.53766

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(N1C)C)S(=O)(=O)NC2=CC=CC=C2OC)C(=O)N3CCCCCC3

Isomeric SMILES

CC1=C(C(=C(N1C)C)S(=O)(=O)NC2=CC=CC=C2OC)C(=O)N3CCCCCC3

InChI

InChI=1S/C21H29N3O4S/c1-15-19(21(25)24-13-9-5-6-10-14-24)20(16(2)23(15)3)29(26,27)22-17-11-7-8-12-18(17)28-4/h7-8,11-12,22H,5-6,9-10,13-14H2,1-4H3